9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine

C75H52N2O — CID 118402458

About 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 118402458) has the molecular formula C75H52N2O and a molecular weight of 997.25 g/mol. Its IUPAC name is 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 118402458
• Molecular Formula: C75H52N2O
• Molecular Weight: 997.25 g/mol
• Exact Mass: 996.41
• IUPAC Name: 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cccc4c3oc3c(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C75H52N2O/c1-75(2)69-47-56(36-43-63(69)64-44-42-60(48-70(64)75)76(58-38-32-51(33-39-58)49-16-6-3-7-17-49)59-40-34-52(35-41-59)50-18-8-4-9-19-50)62-24-15-26-67-66-25-14-23-61(73(66)78-74(62)67)54-30-28-53(29-31-54)55-37-45-72-68(46-55)65-22-12-13-27-71(65)77(72)57-20-10-5-11-21-57/h3-48H,1-2H3
• InChIKey: OLQBOANOKURCAZ-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.25
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 118402458) is 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cccc4c3oc3c(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is OLQBOANOKURCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2O/c1-75(2)69-47-56(36-43-63(69)64-44-42-60(48-70(64)75)76(58-38-32-51(33-39-58)49-16-6-3-7-17-49)59-40-34-52(35-41-59)50-18-8-4-9-19-50)62-24-15-26-67-66-25-14-23-61(73(66)78-74(62)67)54-30-28-53(29-31-54)55-37-45-72-68(46-55)65-22-12-13-27-71(65)77(72)57-20-10-5-11-21-57/h3-48H,1-2H3.

What are the key properties of 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 997.25 g/mol, XLogP of 20.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118402458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).